1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione

C17H17NO5 — CID 134180652

IUPAC1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione
SMILESCOCOc1ccc(C(=O)CC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C17H17NO5/c1-21-11-23-16-4-3-13(9-17(16)22-2)15(20)10-14(19)12-5-7-18-8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyGWWBEKLRAWBQQL-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.53
Rot. Bonds8

About 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione

1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione (PubChem CID 134180652) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione
PubChem CID134180652
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione
SMILESCOCOc1ccc(C(=O)CC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C17H17NO5/c1-21-11-23-16-4-3-13(9-17(16)22-2)15(20)10-14(19)12-5-7-18-8-6-12/h3-9H,10-11H2,1-2H3
InChIKeyGWWBEKLRAWBQQL-UHFFFAOYSA-N
XLogP2.53
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-3-ylpropane-1,3-dione
CID 134180858
(2R)-2-hydroxy-1-[3-methoxy-4-(methoxymethoxy)phenyl]propan-1-one
CID 102213329
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
CID 10027642
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
4-(3,4-dimethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 34758807
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
1-cyclopropyl-3-(3,4-dimethoxyphenyl)propane-1,3-dione
CID 55204524

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione?
The IUPAC name of 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione (CID 134180652) is 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione.
What is the SMILES notation for 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione?
The canonical SMILES for 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione is COCOc1ccc(C(=O)CC(=O)c2ccncc2)cc1OC.
What is the InChIKey of 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione?
The InChIKey is GWWBEKLRAWBQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-11-23-16-4-3-13(9-17(16)22-2)15(20)10-14(19)12-5-7-18-8-6-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione?
1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione has a molecular weight of 315.33 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-4-ylpropane-1,3-dione is sourced from PubChem (CID 134180652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).